4-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[(4-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]thio]-3-nitro-benzamide Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O6S/c1-33-18-9-7-17(8-10-18)26-23(30)14-2-5-16(6-3-14)25-21(28)13-34-20-11-4-15(22(24)29)12-19(20)27(31)32/h2-12H,13H2,1H3,(H2,24,29)(H,25,28)(H,26,30)